CID 4296717

142209-44-7

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

CC1=CC=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H21NO3/c1-13-4-7-15(8-5-13)18(20)19-11-10-14-6-9-16(21-2)17(12-14)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)

InChIKey

PIXQPCRMVZPSFH-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.15213 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.159406	170.9
[M+Na]+	322.141348	177.5
[M-H]-	298.144854	177.7
[M+NH4]+	317.185953	185.9
[M+K]+	338.115288	174.4
[M+H-H2O]+	282.149390	162.5
[M+HCOO]-	344.150331	194.7
[M+CH3COO]-	358.165981	207.9
[M+Na-2H]-	320.126796	173.8
[M]+	299.15158142	174.7
[M]-	299.15267858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe